SCHEMBL5886339

SCHEMBL5886339

COc1cccc2c1ccc1nc3cccc(C(=O)NC(C)(CCO)N(C)C)c3nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 5/20 0.45
SMARCA2 P51531 1/20 0.45
AURKA O14965 2/20 0.38
LCK P06239 2/20 0.38
MET P08581 2/20 0.38
KDR P35968 2/20 0.38
TEK Q02763 2/20 0.38
UHRF1 Q96T88 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 5/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ADORA2A P29274 3/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
CASP6 P55212 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5886580 0.78 RAD52 (0.57) RAD52SMARCA2UHRF1MAPTADORA2A
SCHEMBL5886260 0.77 KMT2A (0.51) RAD52SMARCA2MEN1KMT2APOLB
SCHEMBL23583616 0.77 RAD52 (0.48) RAD52SMARCA2AURKALCKMET
SCHEMBL29406105 0.77 RAD52 (0.48) RAD52SMARCA2AURKALCKMET
SCHEMBL5886271 0.76 ALDH1A1 (0.54) RAD52SMARCA2MEN1KMT2APOLB
SCHEMBL5886396 0.76 RAD52 (0.47) RAD52SMARCA2UHRF1MEN1KMT2A
SCHEMBL5886288 0.76 RAD52 (0.47) RAD52SMARCA2UHRF1MEN1KMT2A
SCHEMBL5886455 0.70 KDM4E (0.47) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL5886330 0.69 RAD52 (0.64) RAD52SMARCA2UHRF1ALDH1A1SMN1; SMN2
SCHEMBL7066503 0.69 RAD52 (0.58) RAD52SMARCA2UHRF1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US claimed